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CHEBI:181702 - [(2R,3Z,5R,11R,12R,14R)-16-Benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate

ChEBI IDCHEBI:181702
ChEBI Name[(2R,3Z,5R,11R,12R,14R)-16-Benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H37NO6
Net Charge0
Average Mass507.627
Monoisotopic Mass507.26209
SMILESC=C1C(C)C2C(Cc3ccccc3)NC(=O)C23C(C=CCC(C)C(=O)[C@](C)(O)/C=C\[C@@H]3OC(C)=O)[C@H]1O
InChIInChI=1S/C30H37NO6/c1-17-10-9-13-22-26(33)19(3)18(2)25-23(16-21-11-7-6-8-12-21)31-28(35)30(22,25)24(37-20(4)32)14-15-29(5,36)27(17)34/h6-9,11-15,17-18,22-26,33,36H,3,10,16H2,1-2,4-5H3,(H,31,35)/b13-9?,15-14-/t17?,18?,22?,23?,24?,25?,26-,29+,30?/m0/s1
InChIKeySDZRWUKZFQQKKV-ZJBLMENMSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3Z,5R,11R,12R,14R)-16-Benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate (CHEBI:181702) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(2R,3Z,5R,11R,12R,14R)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate